molecular configuration的例句大全

The calculated results by density-functional theory ( DFT) proved that different substituents influenced the thermodynamic energy, molecular configuration and MOs orbitals of univalent porphyrin zinc species and the stability changed consequently.

利用密度泛函理论的计算结果证明不同的取代基影响了正一价锌卟啉的热力学能、分子结构及分子轨道，其稳定性随之也发生了变化。

Coordinates Retransformation Technique for Studying the Molecular Configuration and Conformation

分子构型和构象研究中的坐标逆变换技术

Effect of Molecular Configuration of EP Lubricant's Base oil on Boundary Lubrication

极压润滑剂基础油分子结构对边界润滑的影响

A Study of the Effect of a Small-molecule Immunodepressant J2 Designed according to the CD_4 Molecular Configuration in the Inhibition of Allograft Rejection in Mice

基于CD4分子构型设计的小分子免疫抑制药J2抗移植排斥反应的作用研究

degree of branching and molecular configuration of the hyperbranched polymers formed from abg type polycondensation

ABg型缩聚形成的超支化聚合物的支化度与分子形态

theory of molecular orbital, valence bond theory, theory of hybridization orbit, chemical bonds, molecular configuration and conformation;

分子轨道理论、价键理论、杂化轨道理论，化学键，分子构形与构象；

infrared spectrum drawing of invert gene color cotton is similar to that of gray cotton fiber, it shows that color cotton and gray cotton has same chemical component and molecular configuration.

转基因彩色棉纤维的红外光谱图与本白棉纤维的红外光谱图基本相同，说明彩色棉与本白棉都具有相同的化学组成和分子构型。

comparative study on application of the hybrid orbital theory and the vsepr in molecular configuration

杂化轨道理论与价层电子对互斥理论应用于分子构型的比较研究

the influencing rule of cations on hapm molecular configuration was obtained.

得出了阳离子对HPAM分子构型的影响规律.

In the paper, the basic application of the hybrid orbital theory and the VSEPR in molecular configuration and a comparative study on them are reported.

介绍了杂化轨道理论和价层电子对互斥理论的基本要点和在分析分子的几何构型方面的应用，并对它们进行了比较研究。

In this paper, a new approach to judge molecular configuration of complex for transition elements by VSEPR theory is put forward on the basis of molecular orbit theory. Its application to octahedral field and tetrahedral field are introduced in detail.

在分子轨道理论的基础上，提出一种应用VSEPR理论判断过渡元素配合物分子构型的方法，并对其在八面体场、四面体场中的应用进行了详细的探讨。

Calculation of Optical Rotation Using Density Functional Theory and Determination of Absolute Configuration for Soman Molecular Selection

分子旋光度的密度泛函计算及Soman绝对构型确定

Recently, the manganese complex with high? spin electronic configuration as one of main fields of molecular magnetism shows a promising prospect.

近年来，具有较高自旋态的锰的配合物作为分子磁体的主要研究对象显示了广阔的发展前景。

Because of the closed-shell electronic configuration, the single-atom argon molecular is an ideal system allowing fruitful comparisons between experiments and theoretical calculations.

氩分子为简单的单原子分子，由于其外层电子具有满壳层结构，所以在理论计算研究和实验对比中已成为一个非常理想的研究体系。

We demonstrated that the luminescence mechanism of MOFs is the ligand-to-ligand charge transfer ( LLCT) by the frontier molecular orbitals and electronic configuration.

而我们通过前线分子轨道和电子组态研究表明它的发光电荷转移是配体之间的电荷转移（LLCT）。

Results show that the molecules whether or not have a plane configuration and conjugated system, the net charge at position 3 ′ and molecular dipole moment are the main factors to affect activity.

结果表明，分子是否具有平面构型和广泛共轭体系、3′位C原子的净电荷、分子偶极矩等参数的差异是影响各异构体药效的主要因素。

The bonding properties are analysed. The relation between the H-F force and the MO's irreducible representation is presented, a method to decide the molecular geometric configuration variation of excited states by the frontier MO's H-F force is suggested.

用从头算法计算了乙烯和环丙烷的各分子轨道的H-F力，指出了H-F力与分子轨道不可约表示闻的关系，提出了用前线轨道的H-F力判断激发态分子构型畸变的方法。